Prognostication of two-dimensional transition-metal atoms embedded rectangular tetrafluorotetracyanoquinodimethane single-atom catalysts for high-efficiency electrochemical nitrogen reduction.

Lv, Sheng-Yao; Li, Guoliang; Yang, Li-Ming

Lv, Sheng-Yao; Li, Guoliang; Yang, Li-Ming.

Afiliação

Lv SY; MOE Key Laboratory of Theoretical Chemistry of Environment, School of Chemistry, South China Normal University, Guangzhou 510006, China; Center for Computational Quantum Chemistry, School of Chemistry, South China Normal University, Guangzhou 510006, China; Hubei Key Laboratory of Bioinorganic Chemistry and Materia Medica, Wuhan 430074, China; Key Laboratory of Material Chemistry for Energy Conversion and Storage, Ministry of Education, Wuhan 430074, China; Hubei Key Laboratory of Materials Chem
Li G; MOE Key Laboratory of Theoretical Chemistry of Environment, School of Chemistry, South China Normal University, Guangzhou 510006, China; Center for Computational Quantum Chemistry, School of Chemistry, South China Normal University, Guangzhou 510006, China. Electronic address: glli@scnu.edu.cn.
Yang LM; Hubei Key Laboratory of Bioinorganic Chemistry and Materia Medica, Wuhan 430074, China; Key Laboratory of Material Chemistry for Energy Conversion and Storage, Ministry of Education, Wuhan 430074, China; Hubei Key Laboratory of Materials Chemistry and Service Failure, Wuhan 430074, China; Hubei Engineering Research Center for Biomaterials and Medical Protective Materials, Wuhan 430074, China; School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 43007

J Colloid Interface Sci ; 621: 24-32, 2022 Sep.

Article em En | MEDLINE | ID: mdl-35447519

Assuntos

Amônia; Nitrogênio; Adsorção; Catálise; Nitrogênio/química

Palavras-chave

2D TM-rF(4)TCNQ monolayers; Electrocatalytic nitrogen reduction reaction; First-principles calculations; High-throughput screening; Single-atom catalysts

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Amônia / Nitrogênio Tipo de estudo: Prognostic_studies Idioma: En Revista: J Colloid Interface Sci Ano de publicação: 2022 Tipo de documento: Article

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